N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4SC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C22H25N3O4S3/c1-3-29-16-8-9-17-19(14-16)31-22(23-17)24-21(26)15-10-12-25(13-11-15)32(27,28)20-7-5-4-6-18(20)30-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,24,26)